F526-0023 Screening compound: 7-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

F526-0023 Screening compound: 7-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
F526-0023 Screening compound: 7-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F526-0023
7-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F526-0023

Molecular Formula

C21H18N6O5S2 (C21 H18 N6 O5 S2)

Compound Name

7-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-2-phenyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

[O-][N+](c1cccc(S(N(CC2)CCN2C(N=C2SC(c3ccccc3)=NN22)=CC2=O)(=O)=O)c1)=O

InChI

InChI=1S/C21H18N6O5S2/c28-19-14-18(22-21-26(19)23-20(33-21)15-5-2-1-3-6-15)24-9-11-25(12-10-24)34(31,32)17-8-4-7-16(13-17)27(29)30/h1-8,13-14H,9-12H2

InChI Key

NVIQAKIZKUNKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.41

Polar Surface Area

106.269

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F526-0023 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F526-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F526-0023?
Check Price and Availability of F526-0023, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F526-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F526-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F526-0023
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F526-0023 available by request